1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine

C18H28F2N4O2 — CID 111287719

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CN(C)CCO1)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H28F2N4O2/c1-4-21-18(22-11-16-13-23(2)9-10-25-16)24(3)12-14-5-7-15(8-6-14)26-17(19)20/h5-8,16-17H,4,9-13H2,1-3H3,(H,21,22)
InChIKeyRYTYFWAWWYPZQA-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.02
Rot. Bonds7

About 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine

1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine (PubChem CID 111287719) has the molecular formula C18H28F2N4O2 and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
PubChem CID111287719
Molecular FormulaC18H28F2N4O2
Molecular Weight370.44 g/mol
Exact Mass370.22
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CN(C)CCO1)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H28F2N4O2/c1-4-21-18(22-11-16-13-23(2)9-10-25-16)24(3)12-14-5-7-15(8-6-14)26-17(19)20/h5-8,16-17H,4,9-13H2,1-3H3,(H,21,22)
InChIKeyRYTYFWAWWYPZQA-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-((4-Methoxyphenyl)methyl)-N',N''-dimethylguanidine
CID 42765
2-[(4-Methoxyphenyl)methyl]-1-(3-pyrrolidin-1-ylpropyl)guanidine
CID 9840329
1-[4-[[[4-(Trifluoromethoxy)phenyl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53554362
(4-Methoxy-benzyl)-(2-morpholin-4-yl-ethyl)-amine
CID 3152375
1-[(4-Methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 45483585
1-(4-methylmorpholin-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 53553096
1-(4-ethylmorpholin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 53592769
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 53595161
N-(4-methoxybenzyl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 56880529
1-(Dimorpholin-4-ylmethyl)-4-methoxybenzene
CID 609793
N,3,5]triazine-2,4-diamine
CID 405309
4-Methoxybenzylaminodecamethylene guanidine
CID 146930

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine (CID 111287719) is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine is CCN/C(=N\CC1CN(C)CCO1)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The InChIKey is RYTYFWAWWYPZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N4O2/c1-4-21-18(22-11-16-13-23(2)9-10-25-16)24(3)12-14-5-7-15(8-6-14)26-17(19)20/h5-8,16-17H,4,9-13H2,1-3H3,(H,21,22).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine has a molecular weight of 370.44 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine is sourced from PubChem (CID 111287719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).